Basic information
- CAS
32272-57-4- Standard SMILES
CCc1nc(C)sc1C- InChIKey
ZJGXJKFDKNNBTK-UHFFFAOYSA-N- Molecular formula
- C7H11NS
- Average molar mass
- 141.24 g/mol
- Monoisotopic mass
- 141.06122053
Overview
4-Ethyl-2,5-dimethylthiazole is a metabolite found in or produced by Saccharomyces cerevisiae.
Names & identifiers
- Preferred name
- 4-Ethyl-2,5-dimethylthiazole
- IUPAC
- 4-ethyl-2,5-dimethyl-1,3-thiazole
- English name
- 2,5-Dimethyl-4-ethylthiazole
- Molecular formula
- C7H11NS
- Molecular weight
- 141.23
Names & synonyms
2,5-DIMETHYL-4-ETHYLTHIAZOLE4-Ethyl-2,5-dimethyl-1,3-thiazole4-Ethyl-2,5-dimethylthiazoleThiazole, 4-ethyl-2,5-dimethyl-UNII-N9ZS090JBQN9ZS090JBQ4-Ethyl-2,5-dimethyl-ThiazoleDTXSID10186021RefChem:98858DTXCID20108512ZJGXJKFDKNNBTK-UHFFFAOYSA-N32272-57-4
Show more names
SCHEMBL2096293SCHEMBL67606982,5-dimethyl-4-ethyl thiazoleAKOS0062390194-Ethyl-2,5-dimethyl-1,3-thiazole #NS00127219Q27284751
Database identifiers
- CAS
32272-57-4- PubChem CID
- 36098
- DTXSID
DTXSID10186021- UNII
- N9ZS090JBQ
- Nikkaji
- J108.858K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Melting Point115 - 116 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 32 °C · 32 °C(Press: 1.1 Torr)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- FLAVIS Number
- 15.061 · 15.061 | 2,5-Dimethyl-4-ethylthiazole
- pka
- 4.41 · 4.41±0.10(Predicted)
- LogP
- 1.361 · 1.361 (est)
- FDA UNII
- 9 ZS090JBQ · N9ZS090JBQ
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Thiazole, 4-ethyl-2,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Upstream raw materials
Suppliers1 total
赛纳斯特化学（欢迎点击联系）021-60343070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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